methyl 4-[1-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxidanyl-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-2-yl]benzoate

Systemtic Name: methyl 4-[1-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxidanyl-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-2-yl]benzoate Openeye Name: methyl 4-[1-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-2-yl]benzoate CAS Name: 4-[1-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[1-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-2-yl]benzoate Traditional Name: 4-[1-homoveratryl-4-hydroxy-5-keto-3-(2-thenoyl)-3-pyrrolin-2-yl]benzoic acid methyl ester Formula: C27H25NO7S MolecularWeight: 507.5549

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C(C(=C(C2=O)O)C(=O)C3=CC=CS3)C4=CC=C(C=C4)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(C(=C(C2=O)O)C(=O)C3=CC=CS3)C4=CC=C(C=C4)C(=O)OC)OC

InChI

InChI=1S/C27H25NO7S/c1-33-19-11-6-16(15-20(19)34-2)12-13-28-23(17-7-9-18(10-8-17)27(32)35-3)22(25(30)26(28)31)24(29)21-5-4-14-36-21/h4-11,14-15,23,30H,12-13H2,1-3H3